Influence of temperature and alloying elements on the threshold displacement energies in concentrated Ni-Fe-Cr alloys

doi:10.1088/1674-1056/abf10d

Abstract Concentrated solid-solution alloys (CSAs) have demonstrated promising irradiation resistance depending on their compositions. Under irradiation, various defects can be produced. One of the most important parameters characterizing the defect production and the resulting defect number is the threshold displacement energies (E_d). In this work, we report the results of E_d values in a series of Ni-Fe-Cr concentrated solid solution alloys through molecular dynamics (MD) simulations. Based on several different empirical potentials, we show that the differences in the E_d values and its angular dependence are mainly due to the stiffness of the potential in the intermediate regime. The influences of different alloying elements and temperatures on E_d values in different CSAs are further evaluated by calculating the defect production probabilities. Our results suggest a limited influence of alloying elements and temperature on E_d values in concentrated alloys. Finally, we discuss the relationship between the primary damage and E_d values in different alloys. Overall, this work presents a thorough study on the E_d values in concentrated alloys, including the influence of empirical potentials, their angular dependence, temperature dependence, and effects on primary defect production.

Keywords: irradiation effects molecular dynamics threshold displacement energies concentrated high-entropy alloys

Received: 11 January 2021
Revised: 19 March 2021
Accepted manuscript online: 23 March 2021

PACS:	61.72.-y	(Defects and impurities in crystals; microstructure)
	61.80.-x	(Physical radiation effects, radiation damage)
	61.82.-d	(Radiation effects on specific materials)

Fund: Project supported by the National Natural Science Foundation of China (Grant No. 11975193), City University of Hong Kong (Grant No. 9610425), Research Grants Council of Hong Kong, China (Grant No. 21200919), Guangdong Basic and Applied Basic Research Foundation, China (Grant No. 2019A1515011528), Shenzhen Basic Research Program (Grant No. JCYJ20190808181601662), and Sichuan Science and Technology Program (Grant No. 2021YJ0516).

Corresponding Authors: Shijun Zhao
E-mail: shijzhao@cityu.edu.hk

Cite this article:

Shijun Zhao(赵仕俊) Influence of temperature and alloying elements on the threshold displacement energies in concentrated Ni-Fe-Cr alloys 2021 Chin. Phys. B 30 056111

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Influence of temperature and alloying elements on the threshold displacement energies in concentrated Ni-Fe-Cr alloys

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